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CHEBI:116563 - 4-(3,4-dihydroxyphenyl)-6-[(4-fluoro-3-methylphenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester

ChEBI IDCHEBI:116563
ChEBI Name4-(3,4-dihydroxyphenyl)-6-[(4-fluoro-3-methylphenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
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DownloadsMolfile
FormulaC21H21FN2O7S
Net Charge0
Average Mass464.471
Monoisotopic Mass464.10535
SMILESCCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(C)c2)NC(=O)NC1c1ccc(O)c(O)c1
InChIInChI=1S/C21H21FN2O7S/c1-3-31-20(27)18-15(10-32(29,30)13-5-6-14(22)11(2)8-13)23-21(28)24-19(18)12-4-7-16(25)17(26)9-12/h4-9,19,25-26H,3,10H2,1-2H3,(H2,23,24,28)
InChIKeyNPTIRTKTUKFTHJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-(3,4-dihydroxyphenyl)-6-[(4-fluoro-3-methylphenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester (CHEBI:116563) is a pyrimidinecarboxylic acid (CHEBI:78574)
Manual XrefsDatabases
LSM-28018LINCS